SCHEMBL6112151

SCHEMBL6112151

NC1C2CCC1Cc1cc(OCCN3CCOCC3)ccc1C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.61
PSEN2 P49810 3/20 0.61
APH1B Q8WW43 3/20 0.61
NCSTN Q92542 3/20 0.61
APH1A Q96BI3 3/20 0.61
PSENEN Q9NZ42 3/20 0.61
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
NPC1 O15118 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 1/20 0.49
LTA4H P09960 1/20 0.48
ABHD6 Q9BV23 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5070782 0.84 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL6697715 0.80 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6701372 0.78 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL31070047 0.78 KDM4E (0.62) KDM4EALDH1A1CA12CA1CA2
Hydrochloric Acid SCHEMBL28433084 0.78 KDM4E (0.62) KDM4EALDH1A1CA12CA1CA2
SCHEMBL29640958 0.76 HRH3 (0.63) KDM4EALDH1A1CA12CA1CA2
SCHEMBL329891 0.76 HRH3 (0.63) KDM4EALDH1A1CA12CA1CA2
SCHEMBL585363 0.76 ALDH1A1 (0.60) KDM4EALDH1A1CA12CA1CA2
SCHEMBL5069775 0.76 MAOB (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5904129 0.76 HRH3 (0.67) KDM4EALDH1A1HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed